SCHEMBL2284993

SCHEMBL2284993

COc1c[c]cc(Cl)c1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 5/20 0.32
NPSR1 Q6W5P4 3/20 0.32
TAAR1 Q96RJ0 1/20 0.32
ALDH1A1 P00352 3/20 0.31
MAPK1 P28482 2/20 0.31
HSP90AA1 P07900 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
CCR6 P51684 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
POLB P06746 2/20 0.30
L3MBTL1 Q9Y468 2/20 0.30
USP2 O75604 1/20 0.30
CYP2C9 P11712 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1578724 0.84 MAPT (0.38) MAPTNPSR1ALDH1A1POLBL3MBTL1
SCHEMBL2282004 0.77 GAA (0.35) GAANPC1MAPTNPSR1TAAR1
SCHEMBL2285003 0.77 MAPT (0.39) MAPTNPSR1TAAR1ALDH1A1POLB
SCHEMBL2289162 0.76 GAA (0.34) GAANPC1MAPTNPSR1ALDH1A1
SCHEMBL943527 0.76 ALDH1A1 (0.37) GAANPC1MAPTNPSR1ALDH1A1
SCHEMBL2286278 0.76 NQO2 (0.34) MAPTNPSR1POLBL3MBTL1
SCHEMBL1355907 0.75
SCHEMBL2286239 0.74 POLB (0.34) MAPTNPSR1POLBL3MBTL1
SCHEMBL2285493 0.74 MAPT (0.32) MAPTNPSR1POLBL3MBTL1
SCHEMBL1205334 0.74 KMT2A (0.38) GAANPC1MAPTNPSR1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989394-B2 Substituted 1-(azolin-2-yl)-amino-2-aryl-1-hetaryl-ethane compounds BASF SE (DE) 2011-08-02 US disclosed
US-20090131256-A1 Substituted 1-(azolin-2-yl)-amino-2-aryl-1-hetaryl-ethane Compounds BASF SE (DE) 2009-05-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090131256-A1 Substituted 1-(azolin-2-yl)-amino-2-aryl-1-hetaryl-ethane Compounds AAAS, AIPL1, ATXN2 GAA 3610/4885NPC1 1526/4885MAPT 4268/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.